2-amino-N-propylbenzenesulfonamide

Base Information

• Chemical Name: 2-amino-N-propylbenzenesulfonamide
• CAS No.: 436095-50-0
• Molecular Formula: C9H14N2O2S
• Molecular Weight: 214.288
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID70405780
• Wikidata: Q82210486
• Mol file: 436095-50-0.mol

Synonyms:2-amino-N-propylbenzenesulfonamide;436095-50-0;2-amino-N-propyl-benzenesulfonamide;2-amino-N-propylbenzene-1-sulfonamide;SCHEMBL375546;DTXSID70405780;FFEGBNMXZXUZSA-UHFFFAOYSA-N;MFCD04035389;AKOS000145526;DS-0336;SB79347;FT-0646227;A872670

Chemical Property of 2-amino-N-propylbenzenesulfonamide

Chemical Property:

• Boiling Point: 372.6 °C at 760 mmHg
• Flash Point: 179.2 °C
• PSA: 80.57000
• Density: 1.222 g/cm³
• LogP: 3.01000
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 214.07759887
• Heavy Atom Count: 14
• Complexity: 259

Purity/Quality:

97% ^*data from raw suppliers

2-Amino-N-propylbenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCNS(=O)(=O)C1=CC=CC=C1N
• Uses: 2-Amino-N-propylbenzenesulfonamide is a useful research reagent used in the preparation of pyrimidine derivatives with numerous pharmaceutical applications.

Technology Process of 2-amino-N-propylbenzenesulfonamide

There total 3 articles about 2-amino-N-propylbenzenesulfonamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 79.0%

N-propyl-o-nitrobenzenesulfonamide (89840-63-1) → 2-amino-N-propylbenzenesulfonamide (436095-50-0)

Guidance literature:

With tin(II) chloride dihdyrate; In ethyl acetate; for 18h; Reflux;

DOI:10.1039/d1ob00968k

Reference yield:

2-Nitrobenzenesulfonyl chloride (1694-92-4) → 2-amino-N-propylbenzenesulfonamide (436095-50-0)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / 5 h / 23 °C

2: H₂ / Pd/C / ethanol / 16 h / 25 °C

With hydrogen; triethylamine; palladium on activated charcoal; In ethanol;

DOI:10.1016/j.bmcl.2006.02.032

Reference yield:

→ 2-amino-N-propylbenzenesulfonamide (436095-50-0)

Guidance literature:

3-Ethyl-3.4-dihydro-1.2.4-benzothiadiazin-1.1-dioxid, KBH4;

upstream raw materials:

N-propyl-o-nitrobenzenesulfonamide

2-Nitrobenzenesulfonyl chloride

Downstream raw materials:

2-(5-bromo-2-chloro-pyrimidin-4-ylamino)-N-propyl-benzenesulfonamide

2-(2-chloro-pyrrolo[2,3-d]pyrimidin-7-yl)-N-propyl-benzenesulfonamide

2-[2-chloro-5-(2-ethoxy-vinyl)-pyrimidin-4-ylamino]-N-propyl-benzenesulfonamide

2-(2-chloro-5-nitro-pyrimidin-4-ylamino)-N-methyl-benzenesulfonamide

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